smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)CN(CCC[NH+]1CCN(CCCNc2cc[nH+]c3cc(Cl)ccc23)CC1)C(=O)CC(=O)NO	ZINC000022445464	561759069	/nfs/dbraw/zinc/75/90/69/561759069.db2.gz	VVFDRGRIBSABAD-UHFFFAOYSA-N	2	2	519.090	3.078	1	30		KGEFLP
CC(C)CN(CCCN1CC[NH+](CCCNc2cc[nH+]c3cc(Cl)ccc23)CC1)C(=O)CC(=O)NO	ZINC000022445464	561759067	/nfs/dbraw/zinc/75/90/67/561759067.db2.gz	VVFDRGRIBSABAD-UHFFFAOYSA-N	2	2	519.090	3.078	1	30		KGEFLP
C[NH+](C)CCCc1ccc(/C=N/c2ccc3nc(N4CC[NH+](C)CC4)c(N4CC[NH+](C)CC4)nc3c2)cc1	ZINC000026168085	561769462	/nfs/dbraw/zinc/76/94/62/561769462.db2.gz	YMUGDZBVYFDWNT-UQRQXUALSA-N	3	2	514.722	3.378	1	30		KGEFLP
COC(=O)[C@H](CCSC)NC(=O)[C@@H]1C[C@H](Oc2ccc(-c3ccccc3)cc2)C[N@H+]1C/C=C/[C@@H]([NH3+])CS	ZINC000026254108	561774559	/nfs/dbraw/zinc/77/45/59/561774559.db2.gz	RSJJSMGHYLDRTO-HQVXXRMESA-N	2	2	543.755	3.400	1	30		KGEFLP
COC(=O)[C@H](CCSC)NC(=O)[C@@H]1C[C@H](Oc2ccc(-c3ccccc3)cc2)C[N@@H+]1C/C=C/[C@@H]([NH3+])CS	ZINC000026254108	561774558	/nfs/dbraw/zinc/77/45/58/561774558.db2.gz	RSJJSMGHYLDRTO-HQVXXRMESA-N	2	2	543.755	3.400	1	30		KGEFLP
CCCCc1ccc(O[C@H]2C[C@@H](C(=O)N[C@@H](CCSC)C(=O)OC)[N@@H+](C/C=C/[C@@H]([NH3+])CS)C2)cc1	ZINC000026255064	561774774	/nfs/dbraw/zinc/77/47/74/561774774.db2.gz	QVGZQJFDCNPOLG-KFMWCGTPSA-N	2	2	523.765	3.075	1	30		KGEFLP
CCCCc1ccc(O[C@H]2C[C@@H](C(=O)N[C@@H](CCSC)C(=O)OC)[N@H+](C/C=C/[C@@H]([NH3+])CS)C2)cc1	ZINC000026255064	561774772	/nfs/dbraw/zinc/77/47/72/561774772.db2.gz	QVGZQJFDCNPOLG-KFMWCGTPSA-N	2	2	523.765	3.075	1	30		KGEFLP
C=CCNc1nc(NC[C@H](O)CN2CC[NH+](C3c4ccccc4CCc4ccccc43)CC2)nc(NCC=C)[nH+]1	ZINC000026572768	561798454	/nfs/dbraw/zinc/79/84/54/561798454.db2.gz	CVMPFOSAJSHJFD-VWLOTQADSA-N	2	2	540.716	3.346	1	30		KGEFLP
C=CCNc1nc(NCC=C)[nH+]c(NC[C@H](O)CN2CC[NH+](C3c4ccccc4CCc4ccccc43)CC2)n1	ZINC000026572768	561798451	/nfs/dbraw/zinc/79/84/51/561798451.db2.gz	CVMPFOSAJSHJFD-VWLOTQADSA-N	2	2	540.716	3.346	1	30		KGEFLP
C=CCNc1nc(NC[C@@H](O)CN2CC[NH+](C3c4ccccc4CCc4ccccc43)CC2)nc(NCC=C)[nH+]1	ZINC000026572771	561798421	/nfs/dbraw/zinc/79/84/21/561798421.db2.gz	CVMPFOSAJSHJFD-RUZDIDTESA-N	2	2	540.716	3.346	1	30		KGEFLP
C=CCNc1nc(NCC=C)[nH+]c(NC[C@@H](O)CN2CC[NH+](C3c4ccccc4CCc4ccccc43)CC2)n1	ZINC000026572771	561798418	/nfs/dbraw/zinc/79/84/18/561798418.db2.gz	CVMPFOSAJSHJFD-RUZDIDTESA-N	2	2	540.716	3.346	1	30		KGEFLP
CC(=O)Nc1ccc2c(c1)[nH+]c1cc([N+](=O)[O-])ccc1c2Nc1ccc(NS(=O)(=O)CCNC(N)=[NH2+])cc1	ZINC000026840647	561825677	/nfs/dbraw/zinc/82/56/77/561825677.db2.gz	FKPUYYMTJGECAM-UHFFFAOYSA-N	2	2	536.574	3.013	1	30		KGEFLP
CC(=O)Nc1ccc2c(c1)[nH+]c1cc([N+](=O)[O-])ccc1c2Nc1ccc(NS(=O)(=O)CCCNC(N)=[NH2+])cc1	ZINC000026841090	561825891	/nfs/dbraw/zinc/82/58/91/561825891.db2.gz	CHRKENPSDQRGKY-UHFFFAOYSA-N	2	2	550.601	3.403	1	30		KGEFLP
COc1cc(NS(=O)(=O)CCNC(N)=[NH2+])ccc1Nc1c2ccccc2[nH+]c2cc([N+](=O)[O-])ccc21	ZINC000026850738	561827130	/nfs/dbraw/zinc/82/71/30/561827130.db2.gz	YBBAGXOODZWPPN-UHFFFAOYSA-N	2	2	509.548	3.064	1	30		KGEFLP
S=C(NCCC[NH+]1CCOCC1)N/N=C/c1c2ccccc2c(/C=N/NC(=S)NCCC[NH+]2CCOCC2)c2ccccc12	ZINC000027564253	561871824	/nfs/dbraw/zinc/87/18/24/561871824.db2.gz	TZGDOJTYASZCGJ-VJTPSNAYSA-N	2	2	634.876	3.034	1	30		KGEFLP
COc1cc2c(cc1OCC[NH+]1CCCCC1)ncnc2N1CCN(C(=S)NCc2ccc(N)[nH+]c2)CC1	ZINC000028390117	561922053	/nfs/dbraw/zinc/92/20/53/561922053.db2.gz	CKFMPVLHDAOVCR-UHFFFAOYSA-N	2	2	536.706	3.088	1	30		KGEFLP
O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2cccc3c2C[C@H]([NH2+][C@@H]2CO2)CC3)CC1)[C@H]1Cc2ccccc2C[NH2+]1	ZINC000028527587	561932497	/nfs/dbraw/zinc/93/24/97/561932497.db2.gz	FZQYMOOQPFQTJD-TXLSGFARSA-N	2	2	614.190	3.234	1	30		KGEFLP
O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2cccc3c2C[C@@H]([NH2+][C@@H]2CO2)CC3)CC1)[C@H]1Cc2ccccc2C[NH2+]1	ZINC000028527591	561932516	/nfs/dbraw/zinc/93/25/16/561932516.db2.gz	FZQYMOOQPFQTJD-VVHQHVLRSA-N	2	2	614.190	3.234	1	30		KGEFLP
C[C@H](C[C@@H]1CC[C@H]([C@@H](C)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)O1)n1cc(C#CC[N@@H+](C)CCc2ccccc2)nn1	ZINC000044307351	562653996	/nfs/dbraw/zinc/65/39/96/562653996.db2.gz	ROJCHVLEDBKAMR-RUJJQNLWSA-N	2	2	576.786	3.262	1	30		KGEFLP
C[C@H](C[C@@H]1CC[C@H]([C@@H](C)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)O1)n1cc(C#CC[N@H+](C)CCc2ccccc2)nn1	ZINC000044307351	562653995	/nfs/dbraw/zinc/65/39/95/562653995.db2.gz	ROJCHVLEDBKAMR-RUJJQNLWSA-N	2	2	576.786	3.262	1	30		KGEFLP
C[C@H](C[C@@H]1CC[C@H]([C@@H](C)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)O1)n1cc(C#CC[N@@H+](C)CCc2ccccc2)nn1	ZINC000044307359	562653987	/nfs/dbraw/zinc/65/39/87/562653987.db2.gz	ROJCHVLEDBKAMR-HNKJZSEPSA-N	2	2	576.786	3.262	1	30		KGEFLP
C[C@H](C[C@@H]1CC[C@H]([C@@H](C)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)O1)n1cc(C#CC[N@H+](C)CCc2ccccc2)nn1	ZINC000044307359	562653986	/nfs/dbraw/zinc/65/39/86/562653986.db2.gz	ROJCHVLEDBKAMR-HNKJZSEPSA-N	2	2	576.786	3.262	1	30		KGEFLP
Cc1[nH+]c[nH]c1CSCCNC(=NCCCCCCCCN=C(NC#N)NCCSCc1[nH]c[nH+]c1C)NC#N	ZINC000049722583	562672213	/nfs/dbraw/zinc/67/22/13/562672213.db2.gz	SVLHKYLOWJSRMN-UHFFFAOYSA-N	2	2	586.840	3.289	1	30		KGEFLP
CCCCCCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OCC[NH3+]	ZINC000049780306	562681604	/nfs/dbraw/zinc/68/16/04/562681604.db2.gz	CEASNOKJCRGCTF-ZDCRTTOTSA-N	2	2	692.858	3.336	1	30		KGEFLP
CCCCCCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OCC[NH3+]	ZINC000049780306	562681603	/nfs/dbraw/zinc/68/16/03/562681603.db2.gz	CEASNOKJCRGCTF-ZDCRTTOTSA-N	2	2	692.858	3.336	1	30		KGEFLP
Nc1[nH]c(CCNC(=O)C(Cc2cc(Br)c(OCCC[NH3+])c(Br)c2)=NO)c(-c2cc(O)c3[nH]cc(O)c(=O)c3c2O)[nH+]1	ZINC000049807953	562686549	/nfs/dbraw/zinc/68/65/49/562686549.db2.gz	BROXCQAYHHQIQE-QNVXDBMFSA-N	2	2	709.352	3.014	1	30		KGEFLP
C=C[C@]1(C)C[C@@H](OC(=O)C[NH2+]C2CCN(C(=O)CCn3cnc4c3ncnc4N3CC[C@H]([NH3+])C3)CC2)[C@@]2(C)[C@H]3C(=O)CC[C@@]3(CC[C@H]2C)[C@@H](C)[C@@H]1O	ZINC000049841544	562688492	/nfs/dbraw/zinc/68/84/92/562688492.db2.gz	HUQDZUUUWOXOKO-BCEHMXHLSA-N	2	2	718.944	3.241	1	30		KGEFLP
C=C[C@]1(C)C[C@@H](OC(=O)C[NH2+]C2CCN(C(=O)CCn3cnc4c3ncnc4N3CC[C@@H]([NH3+])C3)CC2)[C@@]2(C)[C@H]3C(=O)CC[C@@]3(CC[C@H]2C)[C@@H](C)[C@@H]1O	ZINC000049841545	562688471	/nfs/dbraw/zinc/68/84/71/562688471.db2.gz	HUQDZUUUWOXOKO-PDHDGITESA-N	2	2	718.944	3.241	1	30		KGEFLP
C#CCN(Cc1cc2c(cc1Cl)nc(CN1CC[NH+](CCC[NH3+])CC1)n(C)c2=O)c1ccc(C(=O)NCc2cccnc2)cc1	ZINC000072110192	562721732	/nfs/dbraw/zinc/72/17/32/562721732.db2.gz	PUTXDNZNQHTEGH-UHFFFAOYSA-N	2	2	627.193	3.018	1	30		KGEFLP
C[NH+](C)CCNC(=O)c1ccc(Cl)c2c(Nc3ccc(S(=O)(=O)N=C(N)N)cc3)c3ccccc3[nH+]c12	ZINC000073275303	562737272	/nfs/dbraw/zinc/73/72/72/562737272.db2.gz	GSVHSPKUXCMLES-UHFFFAOYSA-N	2	2	540.049	3.039	1	30		KGEFLP
CC[C@H]1OC(=O)[C@H](C)[C@@]2(O)O[C@@](C)(C[C@@H](C)CN3/C(=[NH+]\Cc4ccccc4)O[C@H]([C@H]3C)[C@]1(C)O)[C@H](O[C@@H]1O[C@H](C)C[C@H]([NH+](C)C)[C@H]1O)[C@H]2C	ZINC000082129786	562738905	/nfs/dbraw/zinc/73/89/05/562738905.db2.gz	GICWHUBYYUFMAJ-ZCKCPEDYSA-N	2	2	689.891	3.305	1	30		KGEFLP
C[C@@H]1[NH2+][C@H](C[C@H](CC=O)[C@@H]2CCCCCC[C@@](O)(CC(=O)[O-])C[NH2+][C@]3(C)C[C@@H](Cc4cccc(c4)C2)N[C@H]([NH3+])C3)CC[C@H]1O	ZINC000085487879	565123409	/nfs/dbraw/zinc/12/34/09/565123409.db2.gz	JQDWRWDHSZLEPP-DVHOLYJBSA-N	2	2	614.872	3.430	1	30	biogenic,in-vitro	KGEFLP
C[NH2+]CC[C@]1(C(=O)O[C@@H]2Cc3c(cc4oc(C)cc(O)c-4c3=O)OC2(C)C)O[C@@H]1CCc1cc(N)[nH+]c(-c2ccnc(N)c2)c1	ZINC000085593996	565150883	/nfs/dbraw/zinc/15/08/83/565150883.db2.gz	IHLPVKMHZBFXRG-ZJDJHBDQSA-N	2	2	615.687	3.434	1	30	biogenic,in-vitro	KGEFLP
C[NH2+]CC[C@@]1(C(=O)O[C@@H]2Cc3c(cc4oc(C)cc(O)c-4c3=O)OC2(C)C)O[C@@H]1CCc1cc(N)[nH+]c(-c2ccnc(N)c2)c1	ZINC000085593999	565150471	/nfs/dbraw/zinc/15/04/71/565150471.db2.gz	IHLPVKMHZBFXRG-AHYUKCMYSA-N	2	2	615.687	3.434	1	30	biogenic,in-vitro	KGEFLP
C[NH2+]C[C@@H]1CC[C@]2(O[C@@H]2Cc2cccc(C(N)[NH3+])c2)C(=O)O[C@@H]2[C@H](C1)c1c(cc3oc(C)cc(O)c-3c1=O)OC2(C)C	ZINC000085594001	560064976	/nfs/dbraw/zinc/06/49/76/560064976.db2.gz	LWMKGEMONWTECR-FNPFPMMQSA-N	2	2	577.678	3.289	1	30	biogenic,in-vitro	KGEFLP
CCCCC[C@H](O)C[C@@H](CCc1cc(CN2C[C@@](CCNC(N)=[NH2+])(Cc3cc[nH+]c(N)c3)CC2=O)c(O)c(OC)c1)OC(C)=O	ZINC000085627491	565160731	/nfs/dbraw/zinc/16/07/31/565160731.db2.gz	XQYNDSOBOUWDPF-VCQOIINCSA-N	2	2	626.799	3.199	1	30	biogenic,in-vitro	KGEFLP
C[NH+](C)CCCOc1cc[nH+]c2ccc(C#CCNC(=O)c3cncn(Cc4ccc(F)c(F)c4)c3=O)cc21	ZINC000096176194	562792208	/nfs/dbraw/zinc/79/22/08/562792208.db2.gz	ZNITUNSWFFMARR-UHFFFAOYSA-N	2	2	531.563	3.230	1	30		KGEFLP
C[NH+](C)CCOc1cc[nH+]c2ccc(C#CCNC(=O)c3cccn(Cc4ccc(F)c(F)c4)c3=O)cc21	ZINC000096176204	562792164	/nfs/dbraw/zinc/79/21/64/562792164.db2.gz	HBCJLLWUCUHIEN-UHFFFAOYSA-N	2	2	516.548	3.445	1	30		KGEFLP
O=C(NCC#Cc1ccc2[nH+]ccc(OC3CC[NH2+]CC3)c2c1)c1cncn(Cc2ccc(F)c(F)c2)c1=O	ZINC000096176219	562792191	/nfs/dbraw/zinc/79/21/91/562792191.db2.gz	TXUGQGHZJASHCZ-UHFFFAOYSA-N	2	2	529.547	3.030	1	30		KGEFLP
O=C(NCC#Cc1ccc2[nH+]ccc(OC[C@H]3CCC[NH2+]C3)c2c1)c1cncn(Cc2ccc(F)c(F)c2)c1=O	ZINC000096176229	562792220	/nfs/dbraw/zinc/79/22/20/562792220.db2.gz	FBMUELALNXNVBP-QFIPXVFZSA-N	2	2	543.574	3.278	1	30		KGEFLP
C[NH+](C)CCCOc1cc[nH+]c2ccc(C#CCNC(=O)c3cccn([C@H](CO)c4ccc(F)c(F)c4)c3=O)cc21	ZINC000096176231	562792242	/nfs/dbraw/zinc/79/22/42/562792242.db2.gz	PLZQNHFCNQFJIL-MUUNZHRXSA-N	2	2	560.601	3.368	1	30		KGEFLP
C[NH+](C)CCCOc1cc[nH+]c2ccc(C#CCNC(=O)c3ccnn(Cc4ccc(F)c(F)c4)c3=O)cc21	ZINC000096176236	562792251	/nfs/dbraw/zinc/79/22/51/562792251.db2.gz	YUCLRDBBNZRIBI-UHFFFAOYSA-N	2	2	531.563	3.230	1	30		KGEFLP
C=C1CC[C@@H]2[C@](C)(COC(=O)CC[NH+]3CCOCC3)[C@H](OC(=O)CC[NH+]3CCOCC3)CC[C@@]2(C)[C@@H]1/C=C/C1=CCOC1=O	ZINC000096924243	562802315	/nfs/dbraw/zinc/80/23/15/562802315.db2.gz	OUMJXFZRNCFPOC-ILRFIUHLSA-N	2	2	614.780	3.314	1	30		KGEFLP
CC[NH+](CCNC1=CC(=O)C(NCC[N@H+](CC)Cc2ccccc2OC)=CC1=O)Cc1ccccc1OC	ZINC000101110623	562809291	/nfs/dbraw/zinc/80/92/91/562809291.db2.gz	YBQQXJJEGWLVHY-UHFFFAOYSA-N	2	2	520.674	3.147	1	30		KGEFLP
CC[NH+](CCNC1=CC(=O)C(NCC[N@@H+](CC)Cc2ccccc2OC)=CC1=O)Cc1ccccc1OC	ZINC000101110623	562809290	/nfs/dbraw/zinc/80/92/90/562809290.db2.gz	YBQQXJJEGWLVHY-UHFFFAOYSA-N	2	2	520.674	3.147	1	30		KGEFLP
COCC[NH+]1CCN(CCO/[NH+]=C2\c3ccccc3N\C2=C2/C(=O)Nc3cc(Br)ccc32)CC1	ZINC000101182810	562809739	/nfs/dbraw/zinc/80/97/39/562809739.db2.gz	HUDVRTTVWXVPMO-HLDOLBPXSA-N	2	2	526.435	3.223	1	30		KGEFLP
[NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)OC[C@H]1S[C@@H](CC=O)S[C@H]1COC(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12	ZINC000101839254	562812275	/nfs/dbraw/zinc/81/22/75/562812275.db2.gz	LHJCXFWGNSHVMJ-KNGAXBMTSA-N	2	2	580.732	3.308	1	30		KGEFLP
N#Cc1c2c(sc1NC(=O)c1cc(OCC[NH3+])ccc1Cl)C[N@@H+](Cc1ccc(-n3cnnn3)cc1)CC2	ZINC000103264021	562821900	/nfs/dbraw/zinc/82/19/00/562821900.db2.gz	TZISNHINHBBIQE-UHFFFAOYSA-N	2	2	535.033	3.397	1	30		KGEFLP
N#Cc1c2c(sc1NC(=O)c1cc(OCC[NH3+])ccc1Cl)C[N@H+](Cc1ccc(-n3cnnn3)cc1)CC2	ZINC000103264021	562821899	/nfs/dbraw/zinc/82/18/99/562821899.db2.gz	TZISNHINHBBIQE-UHFFFAOYSA-N	2	2	535.033	3.397	1	30		KGEFLP
O=C(NCC#Cc1ccc2[nH+]ccc(OC[C@@H]3CCC[NH2+]C3)c2c1)c1cncn(Cc2ccc(F)c(F)c2)c1=O	ZINC000144976333	562836722	/nfs/dbraw/zinc/83/67/22/562836722.db2.gz	FBMUELALNXNVBP-JOCHJYFZSA-N	2	2	543.574	3.278	1	30		KGEFLP
C[NH+](C)CCCOc1cc[nH+]c2ccc(C#CCNC(=O)c3cccn([C@@H](CO)c4ccc(F)c(F)c4)c3=O)cc21	ZINC000144976574	562836750	/nfs/dbraw/zinc/83/67/50/562836750.db2.gz	PLZQNHFCNQFJIL-NDEPHWFRSA-N	2	2	560.601	3.368	1	30		KGEFLP
CCc1ncnc(-c2ccc(C(=O)N3CC[NH+](C[C@@H]4CCC[N@@H+](C)C4)CC3)c(F)c2)c1C#Cc1ccc(N)nc1	ZINC000148626541	562841603	/nfs/dbraw/zinc/84/16/03/562841603.db2.gz	YBQHSAWMEUXDRL-HSZRJFAPSA-N	2	2	541.675	3.322	1	30		KGEFLP
CCc1ncnc(-c2ccc(C(=O)N3CC[NH+](C[C@@H]4CCC[N@H+](C)C4)CC3)c(F)c2)c1C#Cc1ccc(N)nc1	ZINC000148626541	562841602	/nfs/dbraw/zinc/84/16/02/562841602.db2.gz	YBQHSAWMEUXDRL-HSZRJFAPSA-N	2	2	541.675	3.322	1	30		KGEFLP
CCc1ncnc(-c2ccc(C(=O)N3CC[NH+](C[C@H]4CCC[N@@H+](C)C4)CC3)c(F)c2)c1C#Cc1ccc(N)nc1	ZINC000148626702	562841544	/nfs/dbraw/zinc/84/15/44/562841544.db2.gz	YBQHSAWMEUXDRL-QHCPKHFHSA-N	2	2	541.675	3.322	1	30		KGEFLP
CCc1ncnc(-c2ccc(C(=O)N3CC[NH+](C[C@H]4CCC[N@H+](C)C4)CC3)c(F)c2)c1C#Cc1ccc(N)nc1	ZINC000148626702	562841543	/nfs/dbraw/zinc/84/15/43/562841543.db2.gz	YBQHSAWMEUXDRL-QHCPKHFHSA-N	2	2	541.675	3.322	1	30		KGEFLP
CCc1ncnc(-c2ccc(C(=O)N[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)c(F)c2)c1C#Cc1ccc(N)nc1	ZINC000148639073	562841561	/nfs/dbraw/zinc/84/15/61/562841561.db2.gz	UDNXLTSRSSUKIN-JOCHJYFZSA-N	2	2	527.648	3.120	1	30		KGEFLP
CCc1ncnc(-c2ccc(C(=O)N[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)c(F)c2)c1C#Cc1ccc(N)nc1	ZINC000148639073	562841560	/nfs/dbraw/zinc/84/15/60/562841560.db2.gz	UDNXLTSRSSUKIN-JOCHJYFZSA-N	2	2	527.648	3.120	1	30		KGEFLP
CCc1ncnc(-c2ccc(C(=O)N[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)c(F)c2)c1C#Cc1ccc(N)nc1	ZINC000148639224	562841567	/nfs/dbraw/zinc/84/15/67/562841567.db2.gz	UDNXLTSRSSUKIN-QFIPXVFZSA-N	2	2	527.648	3.120	1	30		KGEFLP
CCc1ncnc(-c2ccc(C(=O)N[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)c(F)c2)c1C#Cc1ccc(N)nc1	ZINC000148639224	562841566	/nfs/dbraw/zinc/84/15/66/562841566.db2.gz	UDNXLTSRSSUKIN-QFIPXVFZSA-N	2	2	527.648	3.120	1	30		KGEFLP
N#C[C@H](Cc1ccc(-c2csc(C(=O)N3CC[NH+](C4CC4)CC3)c2)cc1F)NC(=O)[C@H]1[NH2+][C@@H]2CC[C@H]1C2	ZINC000220820680	562878664	/nfs/dbraw/zinc/87/86/64/562878664.db2.gz	AJZSFQXBXRWQNH-IYCJUYGXSA-N	2	2	521.662	3.166	1	30		KGEFLP
Cc1[nH+]ccn1CC1=CC(=CN[C@@H]2CCCC[C@H]2NC=C2C=C(Cn3cc[nH+]c3C)C=CC2=O)C(=O)C=C1	ZINC000377848855	562896469	/nfs/dbraw/zinc/89/64/69/562896469.db2.gz	XHMDRMBSUIRIIE-VSGBNLITSA-O	2	2	511.650	3.205	1	30		KGEFLP
Cn1c(CN2C(=O)CN(c3ccc(Oc4cc[nH+]cc4)cc3)C2=O)nc2ccc(C(=O)N[C@H](C#N)CCCC[NH3+])cc21	ZINC000473132445	562900233	/nfs/dbraw/zinc/90/02/33/562900233.db2.gz	SOGYUURBTIQAEU-NRFANRHFSA-N	2	2	566.622	3.480	1	30		KGEFLP
CCCCCCCCCC[NH2+]CC[NH2+]C[C@@H](O)COC[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21	ZINC000653714163	562908335	/nfs/dbraw/zinc/90/83/35/562908335.db2.gz	IIXWYECDZUVLDO-AQXIMQTBSA-N	2	2	516.720	3.080	1	30		KGEFLP
CCCCCCCCCC[NH2+]CC[NH2+]C[C@H](O)COC[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21	ZINC000653714164	562908359	/nfs/dbraw/zinc/90/83/59/562908359.db2.gz	IIXWYECDZUVLDO-YCBFDDBMSA-N	2	2	516.720	3.080	1	30		KGEFLP